#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005260.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2005260
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume                 C52
_journal_page_first             2002
_journal_page_last              2004
_publ_section_title
;
Bis(hydrazinium) N,N'-Dinitroethylenediaminate(2-)
;
_chemical_formula_iupac        '2N2 H5 1+, C2 H2 N4 O4 2-'
_chemical_formula_moiety        '(N2 H5 1+)2, C2 H2 N4 O4 1-'
_chemical_formula_sum          'C2 H12 O4 N8'
_chemical_formula_weight        212.22
_symmetry_cell_setting          monoclinic
loop_
_symmetry_equiv_pos_as_xyz
        'x, y, z'
        '-x+1/2, y+1/2, -z+1/2'
        '-x, -y, -z'
        'x-1/2, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M  'P 21/n'
_cell_length_a                  5.432(1)
_cell_length_b                  3.769(1)
_cell_length_c                  21.959(4)
_cell_angle_alpha               90
_cell_angle_beta                95.66(3)
_cell_angle_gamma               90
_cell_volume                    447.4(2)
_cell_formula_units_Z           2
_exptl_crystal_density_diffrn   1.59
_exptl_crystal_density_meas     1.594
_cell_measurement_temperature   293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1      1       .6135(1)
                        .0622(2)
                                .48545(3)
                                        .0210(2)
N1      1       .5311(1)
                        .1687(2)
                                .42285(3)
                                        .0224(2)
N2      1       .7061(1)
                        .2697(2)
                                .39243(3)
                                        .0202(2)
O1      1       .6528(1)
                        .3642(2)
                                .33602(3)
                                        .0320(2)
O2      1       .9314(1)
                        .2820(2)
                                .41425(3)
                                        .0318(2)
N4      1       .4160(2)
                        .4111(3)
                                .21075(4)
                                        .0286(2)
N3      1       .2988(1)
                        .2325(2)
                                .15746(4)
                                        .0241(2)
H1      1       .737(3) -0.123(4)
                                .4865(6)
                                        .033(3)
H2      1       .694(3) .263(4) .5103(7)
                                        .032(3)
H3      1       .165(3) .110(5) .1693(7)
                                        .042(4)
H4      1       .407(3) .090(4) .1386(6)
                                        .035(3)
H5      1       .231(3) .389(5) .1287(8)
                                        .055(5)
H6      1       .560(3) .483(5) .2009(7)
                                        .051(4)
H7      1       .449(3) .240(5) .2352(9)
                                        .057(5)